3633-0082 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-acetamido-N-(4-nitrophenyl)prop-2-enamide

3633-0082 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-acetamido-N-(4-nitrophenyl)prop-2-enamide
3633-0082 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-acetamido-N-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3633-0082
(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-acetamido-N-(4-nitrophenyl)prop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3633-0082

Molecular Formula

C18H15N3O6 (C18 H15 N3 O6)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-acetamido-N-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-2-acetamido-N-(4-nitrophenyl)prop-2-enamide

SMILES

CC(N/C(/C(Nc(cc1)ccc1[N+]([O-])=O)=O)=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C18H15N3O6/c1-11(22)19-15(8-12-2-7-16-17(9-12)27-10-26-16)18(23)20-13-3-5-14(6-4-13)21(24)25/h2-9H,10H2,1H3,(H,19,22)(H,20,23)

InChI Key

GZMWNSCXTPJXHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00613330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

1.434

Water Solubility, LogSw

-3.05

Polar Surface Area

95.922

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3633-0082 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3633-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3633-0082?
Check Price and Availability of 3633-0082, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3633-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3633-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3633-0082
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3633-0082 available by request